N-(4-cyanophenyl)-2,3-dimethylbenzamide

C16H14N2O — CID 24705905

IUPACN-(4-cyanophenyl)-2,3-dimethylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc(C#N)cc2)c1C
InChIInChI=1S/C16H14N2O/c1-11-4-3-5-15(12(11)2)16(19)18-14-8-6-13(10-17)7-9-14/h3-9H,1-2H3,(H,18,19)
InChIKeyGJQPZAHSUFPUFY-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.43
Rot. Bonds2

About N-(4-cyanophenyl)-2,3-dimethylbenzamide

N-(4-cyanophenyl)-2,3-dimethylbenzamide (PubChem CID 24705905) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2,3-dimethylbenzamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2,3-dimethylbenzamide
PubChem CID24705905
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC NameN-(4-cyanophenyl)-2,3-dimethylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc(C#N)cc2)c1C
InChIInChI=1S/C16H14N2O/c1-11-4-3-5-15(12(11)2)16(19)18-14-8-6-13(10-17)7-9-14/h3-9H,1-2H3,(H,18,19)
InChIKeyGJQPZAHSUFPUFY-UHFFFAOYSA-N
XLogP3.43
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-cyano-2-methylphenyl)-2,3-dimethylbenzamide
CID 47475875
[2-(4-cyanoanilino)-2-oxoethyl] 2,3-dimethylbenzoate
CID 2572483
2,3-dimethyl-N-pyridin-4-ylbenzamide
CID 27700072
N-(3,4-dimethylphenyl)-2,3-dimethylbenzamide
CID 26593883
1-(4-cyanophenyl)-3-(2,6-dimethylphenyl)urea
CID 3285930
2,3-dimethyl-N-(4-sulfamoylphenyl)benzamide
CID 2814172
N-[4-(2-hydroxyethyl)phenyl]-2,3-dimethylbenzamide
CID 61222500
5-amino-N-(4-cyanophenyl)-2-methylbenzamide
CID 61291527
N-(4-cyanophenyl)-2-methyl-5-sulfanylbenzamide
CID 107021185
N-[4-(2-chloroethyl)phenyl]-2,3-dimethylbenzamide
CID 114299174
[2-[(4-cyanophenyl)carbamoyl]phenyl]phosphonic acid
CID 122605278
N-[4-[[(4-cyanophenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide
CID 3376598

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2,3-dimethylbenzamide?
The IUPAC name of N-(4-cyanophenyl)-2,3-dimethylbenzamide (CID 24705905) is N-(4-cyanophenyl)-2,3-dimethylbenzamide.
What is the SMILES notation for N-(4-cyanophenyl)-2,3-dimethylbenzamide?
The canonical SMILES for N-(4-cyanophenyl)-2,3-dimethylbenzamide is Cc1cccc(C(=O)Nc2ccc(C#N)cc2)c1C.
What is the InChIKey of N-(4-cyanophenyl)-2,3-dimethylbenzamide?
The InChIKey is GJQPZAHSUFPUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c1-11-4-3-5-15(12(11)2)16(19)18-14-8-6-13(10-17)7-9-14/h3-9H,1-2H3,(H,18,19).
What are the key properties of N-(4-cyanophenyl)-2,3-dimethylbenzamide?
N-(4-cyanophenyl)-2,3-dimethylbenzamide has a molecular weight of 250.30 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2,3-dimethylbenzamide is sourced from PubChem (CID 24705905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).